Glycoside
GD113647
Name:
NoneFormula:
C37H42O6Smiles:
C[C@@]1(OCc2ccccc2)[C@H](O)O[C@H](COCc2ccccc2)[C@@](C)(OCc2ccccc2)[C@]1(C)OCc1ccccc1Aglycone:
COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC1(O)C(O)OC(O)C(C)(O)C1(C)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 6.85 | Num_rotatable_bonds: | 13 |
| MolWt: | 582.74 | Num_heavy_atoms: | 43 |
| TPSA: | 66.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
